N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-piperonyl-acetamide Formula: C22H25N4O3S+ MolecularWeight: 425.5239

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC3=C(C=C2)OCO3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC3=C(C=C2)OCO3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H24N4O3S/c27-21(23-12-16-5-6-18-19(11-16)29-15-28-18)13-25-7-9-26(10-8-25)14-22-24-17-3-1-2-4-20(17)30-22/h1-6,11H,7-10,12-15H2,(H,23,27)/p+1